cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide

C34H30FN3O5 — CID 178037610

About cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide

cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide (PubChem CID 178037610) has the molecular formula C34H30FN3O5 and a molecular weight of 579.63 g/mol. Its IUPAC name is cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
• PubChem CID: 178037610
• Molecular Formula: C34H30FN3O5
• Molecular Weight: 579.63 g/mol
• Exact Mass: 579.22
• IUPAC Name: cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)[C@@H]4[C@H](C(=O)Nc5cccc6ccccc56)C4(C)C)cc3F)c2cc1OC
• InChI: InChI=1S/C34H30FN3O5/c1-34(2)30(31(34)33(40)38-24-11-7-9-19-8-5-6-10-21(19)24)32(39)37-20-12-13-27(23(35)16-20)43-26-14-15-36-25-18-29(42-4)28(41-3)17-22(25)26/h5-18,30-31H,1-4H3,(H,37,39)(H,38,40)/t30-,31+/m0/s1
• InChIKey: RJHCRBZIYARMDT-IOWSJCHKSA-N
• XLogP: 7.19
• TPSA: 98.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.63
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide?

The IUPAC name of cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide (CID 178037610) is cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide.

What is the SMILES notation for cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide?

The canonical SMILES for cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide is COc1cc2nccc(Oc3ccc(NC(=O)[C@@H]4[C@H](C(=O)Nc5cccc6ccccc56)C4(C)C)cc3F)c2cc1OC.

What is the InChIKey of cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide?

The InChIKey is RJHCRBZIYARMDT-IOWSJCHKSA-N. The full InChI is InChI=1S/C34H30FN3O5/c1-34(2)30(31(34)33(40)38-24-11-7-9-19-8-5-6-10-21(19)24)32(39)37-20-12-13-27(23(35)16-20)43-26-14-15-36-25-18-29(42-4)28(41-3)17-22(25)26/h5-18,30-31H,1-4H3,(H,37,39)(H,38,40)/t30-,31+/m0/s1.

What are the key properties of cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide?

cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 579.63 g/mol, XLogP of 7.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 178037610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).